3-[1-(2-fluorophenyl)-4-pyridin-4-ylpyrazol-3-yl]benzamide

C21H15FN4O — CID 142787307

IUPAC3-[1-(2-fluorophenyl)-4-pyridin-4-ylpyrazol-3-yl]benzamide
SMILESNC(=O)c1cccc(-c2nn(-c3ccccc3F)cc2-c2ccncc2)c1
InChIInChI=1S/C21H15FN4O/c22-18-6-1-2-7-19(18)26-13-17(14-8-10-24-11-9-14)20(25-26)15-4-3-5-16(12-15)21(23)27/h1-13H,(H2,23,27)
InChIKeyCJBLAXHUJGQAKN-UHFFFAOYSA-N
MW358.38 g/mol
LogP3.84
Rot. Bonds4

About 3-[1-(2-fluorophenyl)-4-pyridin-4-ylpyrazol-3-yl]benzamide

3-[1-(2-fluorophenyl)-4-pyridin-4-ylpyrazol-3-yl]benzamide (PubChem CID 142787307) has the molecular formula C21H15FN4O and a molecular weight of 358.38 g/mol. Its IUPAC name is 3-[1-(2-fluorophenyl)-4-pyridin-4-ylpyrazol-3-yl]benzamide.

Molecular Properties

Compound Name3-[1-(2-fluorophenyl)-4-pyridin-4-ylpyrazol-3-yl]benzamide
PubChem CID142787307
Molecular FormulaC21H15FN4O
Molecular Weight358.38 g/mol
Exact Mass358.12
IUPAC Name3-[1-(2-fluorophenyl)-4-pyridin-4-ylpyrazol-3-yl]benzamide
SMILESNC(=O)c1cccc(-c2nn(-c3ccccc3F)cc2-c2ccncc2)c1
InChIInChI=1S/C21H15FN4O/c22-18-6-1-2-7-19(18)26-13-17(14-8-10-24-11-9-14)20(25-26)15-4-3-5-16(12-15)21(23)27/h1-13H,(H2,23,27)
InChIKeyCJBLAXHUJGQAKN-UHFFFAOYSA-N
XLogP3.84
TPSA73.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.38
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-(2-fluorophenyl)-4-phenylpyrazol-3-yl]acetic acid
CID 12887030
2-fluoro-6-pyridin-4-ylbenzamide
CID 46315506
3-[1-(2-fluorophenyl)pyrazol-3-yl]benzoic acid
CID 11558235
1-(2-fluorophenyl)-3-(4-methylsulfonylphenyl)pyrazole-4-carboxamide
CID 175832347
3-(2-methyl-3-pyridinyl)benzamide
CID 90167933
3-pyrimidin-4-ylbenzamide
CID 67036490
1-[3-[3-(3-chloro-4-hydroxyphenyl)-4-pyridin-4-ylpyrazol-1-yl]phenyl]-3-phenylurea
CID 155517821
1-(2-fluorophenyl)-3-(2-iodophenyl)pyrazole-4-carbaldehyde
CID 63162668
3-[1-(2,6-difluorophenyl)-4-oxo-5H-pyrazolo[4,3-c]pyridin-3-yl]benzamide
CID 137010732
benzamide;pyridine-4-carboxamide
CID 175267661
3-pyridin-3-ylbenzamide;hydrochloride
CID 175813431
3-[3-fluoro-4-(trifluoromethyl)phenyl]benzamide
CID 68758850

Frequently Asked Questions

What is the IUPAC name of 3-[1-(2-fluorophenyl)-4-pyridin-4-ylpyrazol-3-yl]benzamide?
The IUPAC name of 3-[1-(2-fluorophenyl)-4-pyridin-4-ylpyrazol-3-yl]benzamide (CID 142787307) is 3-[1-(2-fluorophenyl)-4-pyridin-4-ylpyrazol-3-yl]benzamide.
What is the SMILES notation for 3-[1-(2-fluorophenyl)-4-pyridin-4-ylpyrazol-3-yl]benzamide?
The canonical SMILES for 3-[1-(2-fluorophenyl)-4-pyridin-4-ylpyrazol-3-yl]benzamide is NC(=O)c1cccc(-c2nn(-c3ccccc3F)cc2-c2ccncc2)c1.
What is the InChIKey of 3-[1-(2-fluorophenyl)-4-pyridin-4-ylpyrazol-3-yl]benzamide?
The InChIKey is CJBLAXHUJGQAKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15FN4O/c22-18-6-1-2-7-19(18)26-13-17(14-8-10-24-11-9-14)20(25-26)15-4-3-5-16(12-15)21(23)27/h1-13H,(H2,23,27).
What are the key properties of 3-[1-(2-fluorophenyl)-4-pyridin-4-ylpyrazol-3-yl]benzamide?
3-[1-(2-fluorophenyl)-4-pyridin-4-ylpyrazol-3-yl]benzamide has a molecular weight of 358.38 g/mol, XLogP of 3.84, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(2-fluorophenyl)-4-pyridin-4-ylpyrazol-3-yl]benzamide is sourced from PubChem (CID 142787307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).